SCHEMBL7140763

SCHEMBL7140763

COc1ccc(C(=O)Nc2nc3c(OC)ccc(-c4ccccc4)n3n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
KDM4E B2RXH2 2/20 0.68
CDKN1A P38936 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TDP1 Q9NUW8 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
RXFP1 Q9HBX9 2/20 0.51
TMIGD3 P0DMS9 1/20 0.50
LMNA P02545 2/20 0.49
PDE4D Q08499 3/20 0.49
ADORA3 P0DMS8 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
JAK1 P23458 1/20 0.48
F10 P00742 1/20 0.48
JAK2 O60674 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6870164 0.93 KDM4E (0.58) MAPTKDM4ECDKN1ATDP1NPC1
SCHEMBL7039193 0.91 LMNA (0.61) MAPTKDM4EALDH1A1TDP1NPC1
SCHEMBL7042283 0.91 MAPT (0.56) MAPTKDM4ECDKN1AADORA2AADORA1
SCHEMBL7149099 0.90 KDM4E (0.55) MAPTKDM4ECDKN1AALDH1A1NPC1
SCHEMBL7148767 0.89 KDM4E (0.54) MAPTKDM4ETDP1NPC1RAB9A
SCHEMBL7149095 0.89 MAPT (0.54) MAPTKDM4EADORA2AADORA1ALDH1A1
SCHEMBL7143995 0.84 ADORA1 (0.53) MAPTKDM4EADORA2AADORA1ALDH1A1
SCHEMBL7045952 0.84 TDP2 (0.52) MAPTKDM4EALDH1A1TDP1NPC1
SCHEMBL7146666 0.84 ALDH1A1 (0.53) MAPTKDM4ECDKN1AALDH1A1TDP1
SCHEMBL7146900 0.84 PDE4D (0.50) MAPTKDM4ETDP1NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed